SCHEMBL8524910

SCHEMBL8524910

N=C(Nc1ccc(C(=O)NCCCc2ccccc2)cc1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.64
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MLYCD O95822 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSP90AA1 P07900 1/20 0.51
F10 P00742 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8523428 0.97 NAMPT (0.60) NAMPTNPC1RAB9AMLYCDHSP90AA1
SCHEMBL8525511 0.93 NAMPT (0.57) NAMPTNPC1RAB9A
SCHEMBL8394079 0.88 NPC1 (0.54) NAMPTNPC1RAB9ASMN1; SMN2F10
Hydrochloric Acid SCHEMBL8395526 0.87 NPC1 (0.53) NAMPTNPC1RAB9ASMN1; SMN2F10
SCHEMBL8396226 0.86 ALDH1A1 (0.56) NAMPTRAB9A
SCHEMBL8392756 0.85 KMT2A (0.53) NAMPTNPC1RAB9ASMN1; SMN2HSP90AA1
Hydrochloric Acid SCHEMBL8394145 0.84 KMT2A (0.53) NAMPTNPC1RAB9ASMN1; SMN2HSP90AA1
SCHEMBL8581485 0.82 HPGD (0.54) NPC1RAB9ASMN1; SMN2
SCHEMBL8395266 0.82 ALDH1A1 (0.59) NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL8394017 0.81 LMNA (0.58) NAMPTNPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US disclosed